Geometry & MOs

Info

ID:	181953
PubChem CID:	76820546
Reduced:	BrO3N5H22C24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	542.271318
ΔH_f, kcal/mol:	10.23
Dipole, Da:	10.28
IP(EA), eV:	-9.31(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-(1,3-dihydroisoindole-2-carbonyl)-8-methyl-9aH-imidazo[1,5-a]quinoxalin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=NC(=O)C3=NN=C(N3C2C=C1C(=O)N4CCC5=C4C=CC(=C5)Br)C6CCOCC6

DOS

IR

Vibrations